2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde

C25H21NO — CID 44586795

IUPAC2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2C=O)cc1
InChIInChI=1S/C25H21NO/c1-26(2)24-13-11-19(12-14-24)25-16-22(9-10-23(25)17-27)21-8-7-18-5-3-4-6-20(18)15-21/h3-17H,1-2H3
InChIKeyYMICRYRUJSHUIH-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.05
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde

2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde (PubChem CID 44586795) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde
PubChem CID44586795
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2C=O)cc1
InChIInChI=1S/C25H21NO/c1-26(2)24-13-11-19(12-14-24)25-16-22(9-10-23(25)17-27)21-8-7-18-5-3-4-6-20(18)15-21/h3-17H,1-2H3
InChIKeyYMICRYRUJSHUIH-UHFFFAOYSA-N
XLogP6.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde (CID 44586795) is 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde is CN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2C=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde?
The InChIKey is YMICRYRUJSHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-26(2)24-13-11-19(12-14-24)25-16-22(9-10-23(25)17-27)21-8-7-18-5-3-4-6-20(18)15-21/h3-17H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde?
2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde has a molecular weight of 351.45 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylbenzaldehyde is sourced from PubChem (CID 44586795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).